Basic information
- Standard SMILES
CCC(=NC#N)NC1c2cc(C#N)ccc2OC(C)(C)C1O- InChIKey
PGSRMVPZDJBVTJ-UHFFFAOYSA-N- Molecular formula
- C16H18N4O2
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.14297583
Names & identifiers
- Preferred name
- N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)propanimidamide
- IUPAC
- N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)propanimidamide
Names & synonyms
SCHEMBL9195774SCHEMBL9195781
Database identifiers
- PubChem CID
- 19906249
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 539
Related reactions
3 records
Compound notes
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